Skip to content

Structured Representation for VASP

We present below the structured data for the VASP modeling application.

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
{
    "allOf": [
        {
            "schemaId": "software-application", 
            "required": [
                "name"
            ], 
            "type": "object", 
            "properties": {
                "build": {
                    "type": "string", 
                    "description": "Application build. e.g. VTST"
                }, 
                "shortName": {
                    "type": "string", 
                    "description": "The short name of the application. e.g. qe"
                }, 
                "version": {
                    "type": "string", 
                    "description": "Application version. e.g. 5.3.5"
                }, 
                "name": {
                    "type": "string", 
                    "description": "The name of the application. e.g. espresso"
                }, 
                "summary": {
                    "type": "string", 
                    "description": "Application's short description."
                }
            }, 
            "title": "application schema (base)"
        }
    ], 
    "schemaId": "software-directory-modeling-vasp", 
    "title": "vienna ab-inito simulation package", 
    "$schema": "http://json-schema.org/draft-04/schema#", 
    "type": "object", 
    "properties": {
        "flavor": {
            "enum": [
                "vasp", 
                "vasp_nscf", 
                "vasp_bands"
            ]
        }, 
        "version": {
            "enum": [
                "5.3.5"
            ]
        }, 
        "name": {
            "enum": [
                "vasp"
            ]
        }, 
        "exec": {
            "enum": [
                "vasp"
            ]
        }, 
        "summary": {
            "enum": [
                "vienna ab-initio simulation package"
            ]
        }
    }
}
1
2
3
4
5
6
{
    "shortName": "vasp", 
    "version": "5.3.5", 
    "name": "vasp", 
    "summary": "vienna ab-initio simulation package"
}